Np mrd loader

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Welcome to NP-MRD Version 2.0

The NP-MRD is a freely available cloud-based, user-friendly, FAIR electronic database. NP-MRD accepts NMR data and associated metadata from newly undertaken NP studies. The NP-MRD accepts raw (time domain data, processed spectra, assigned chemical shifts, J-couplings, RDCs, etc.), and meta-data (structures, sources, methods, taxonomy, geospatial data, etc) from natural products ranging from purified substances to crude extracts, in all major solvents. The NP-MRD include NPs such as vitamins, minerals, and probiotics as well as small molecules derived from plants, fungi, bacteria, marine organisms, or animals. The NP-MRD accepts, converts, and stores all major vendor NMR formats and all major NMR data exchange formats from all common NMR experiments as well as new/uncommon NMR experiments or data sets. The NP-MRD have an intuitive user interface for spectra/structure deposition, retrieval, search, and analysis. Data deposition is fast (<5 min/per spectrum), easy and intuitive, and aided by online assignment and online spectra/structure visualization tools. Structure and assignment validation reports are generated within 5 minutes of deposition and value-added data reports are provided to users within 24 hrs of deposition, including high-quality DFT calculations of chemical shifts for a deposited structure. Data integrity and data quality are ensured by extensive curation efforts and the use of an objective ranking scale for all deposited data.

Citing NP-MRD:

  1. David S Wishart, Tanvir Sajed, Matthew Pin, Ella F Poynton, Bharat Goel, Brian L Lee, An Chi Guo, Sukanta Saha, Zinat Sayeeda, Scott Han, Mark Berjanskii, Harrison Peters, Eponine Oler, Vasuk Gautam, Tamara Jordan, Jonghyeok Kim, Benjamin Ledingham, Zachary M Tretter, James T Koller, Hailey A Shreffler, Lillian R Stillwell, Amy M Jystad, Niranjan Govind, Jessica L Bade, Lloyd W Sumner, Roger G Linington, John R Cort, The Natural Products Magnetic Resonance Database (NP-MRD) for 2025.Nucleic Acids Research, 2024;, gkae1067 https://doi.org/10.1093/nar/gkae1067